2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H12F3N3O2 — CID 122162381

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nc(C2CC2)ccc1=O)NCC(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)6-15-9(18)5-17-10(19)4-3-8(16-17)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,18)
InChIKeySKFQJRRSVLHSCX-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.80
Rot. Bonds4

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 122162381) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID122162381
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nc(C2CC2)ccc1=O)NCC(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)6-15-9(18)5-17-10(19)4-3-8(16-17)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,18)
InChIKeySKFQJRRSVLHSCX-UHFFFAOYSA-N
XLogP0.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 52695819
(2S)-2-[[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]amino]propanamide
CID 129531435
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-propylacetamide
CID 52695820
N-[2-(tert-butylamino)-2-oxoethyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide
CID 55875298
N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55876198
6-Cyclopropyl-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)pyridazin-3-one
CID 56797442
2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 122246444
N-(2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)ethyl)-2,2,2-trifluoroacetamide
CID 122277992
6-Cyclopropyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 126857342
(2R)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 129530568
(2S)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 129530569
2-(2-aminoethyl)-6-cyclopropylpyridazin-3(2H)-one
CID 84657004

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 122162381) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1nc(C2CC2)ccc1=O)NCC(F)(F)F.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SKFQJRRSVLHSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)6-15-9(18)5-17-10(19)4-3-8(16-17)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,18).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 275.23 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 122162381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).